SCHEMBL6567534

SCHEMBL6567534

CC(=O)CC(=O)CC(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
KMT2A Q03164 5/20 0.42
KIF18A Q8NI77 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 3/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6564232 0.79 DTYMK (0.54) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6564011 0.79 CTSD (0.55) KMT2AMAPTMAPK1ALDH1A1LMNA
SCHEMBL6565266 0.79 SIRT6 (0.45) KMT2AMAPTRAB9AMAPK1NPSR1
SCHEMBL589336 0.77 KMT2A (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL8625649 0.77 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6564101 0.75 SMN1; SMN2 (0.47) KMT2AMAPTRAB9AMAPK1ALDH1A1
SCHEMBL6566219 0.73 ALDH1A1 (0.41) KMT2AMAPTRAB9ANPSR1ALDH1A1
SCHEMBL8488879 0.72 CTSD (0.60) KMT2AMAPTMAPK1ALDH1A1LMNA
SCHEMBL6566280 0.71 MAPT (0.48) KMT2AMAPTRAB9AMAPK1ALDH1A1
SCHEMBL6564212 0.71 MEN1 (0.40) KMT2AMAPTNPSR1ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed